ASAM | C11H13NO4 - PubChem

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https://pubchem.ncbi.nlm.nih.gov/compound/23210#section=Chemical-...

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National Center for Biotechnology Information

PUBCHEM COMPOUND ASAM

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Vendors
PubChem CID:
Chemical Names:

23210
ASAM; (o-(Dimethylcarbamoyl)phenoxy)acetic acid; ACETIC ACID,
(o-(DIMETHYLCARBAMOYL)PHENOXY)-; 6755-05-1;
AC1L2LW4; DTXSID50217883;

More...

Molecular Formula:

C11H13NO4

Molecular Weight:

223.22522 g/mol

InChI Key:

XXQGYGJZNMSSFD-UHFFFAOYSA-N

Modify Date:

2016-10-01

Create Date:

2005-08-08

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Contents
1 2D Structure
2 3D Conformer
3 Names and Identifiers
4 Chemical and Physical Properties
5 Related Records
6 Chemical Vendors
7 Information Sources

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1 2D Structure

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2 3D Conformer

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3 Names and Identifiers

3.1 Computed Descriptors

3.1.1 IUPAC Name

2-[2-(dimethylcarbamoyl)phenoxy]acetic acid
from PubChem

3.1.2 InChI

InChI=1S/C11H13NO4/c1-12(2)11(15)8-5-3-4-6-9(8)16-7-10(13)14/h3-6H,7H2,1-2H3,(H,13,14)
from PubChem

3.1.3 InChI Key

XXQGYGJZNMSSFD-UHFFFAOYSA-N
from PubChem

3.1.4 Canonical SMILES

CN(C)C(=O)C1=CC=CC=C1OCC(=O)O
from PubChem

3.2 Molecular Formula

C11H13NO4
from PubChem

3.3 Synonyms

3.3.1 Depositor-Supplied Synonyms

1. ASAM
2. (o-(Dimethylcarbamoyl)phenoxy)acetic acid
3. ACETIC ACID, (o-(DIMETHYLCARBAMOYL)PHENOXY)4. 6755-05-1
5. AC1L2LW4
6. DTXSID50217883
7. LS-11833
8. 2-[2-(dimethylcarbamoyl)phenoxy]acetic acid
from PubChem

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4 Chemical and Physical Properties

4.1 Computed Properties

Molecular Weight

223.22522 g/mol

XLogP3

0.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

223.084458 g/mol

Monoisotopic Mass

223.084458 g/mol

Topological Polar Surface Area

66.8 A^2

Heavy Atom Count

16

Formal Charge

Complexity

265

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

1
from PubChem

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5 Related Records

5.1 Related Compounds with Annotation

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Literature (3)

Bioactivities (43)

2,5-dichloro-4-hydroxyphen

Patents (164)

peniophorin B

homoquinolinic acid, 2-met

from PubChem

5.2 Related Compounds

Similar Compounds

215 records

Similar Conformers

726 records
from PubChem

5.3 Substances

5.3.1 Related Substances

Same

8 records
from PubChem

5.3.2 Substances by Category

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Curation Efforts (2)

Research and Development (3)
Subscription Services (3)
Legacy Depositors (2)
from PubChem

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6 Chemical Vendors

https://pubchem.ncbi.nlm.nih.gov/compound/23210#section=Chemical-...

from PubChem

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7 Information Sources
1. PubChem
Data deposited in or computed by PubChem
https://pubchem.ncbi.nlm.nih.gov https://pubchem.ncbi.nlm.nih.gov

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